Ca(Ti,Zr)OGeO4 Ellemann-Olesen R, Malcherek T American Mineralogist 90 (2005) 687-694 Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti20, triclinically distorted titanite structure _database_code_amcsd 0003765 CELL PARAMETERS: 7.3529 9.1000 6.7563 89.085 113.024 91.001 SPACE GROUP: A-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 415.981 Density (g/cm3): 4.379 MAX. ABS. INTENSITY / VOLUME**2: 27.17619436 RIR: 2.021 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.19 11.54 5.1574 0 1 1 2 17.35 12.22 5.1099 0 -1 1 2 17.84 7.85 4.9718 -1 1 1 2 18.17 11.31 4.8824 -1 -1 1 2 19.51 1.97 4.5491 0 2 0 2 23.43 5.90 3.7968 -1 2 0 2 23.70 5.11 3.7541 1 2 0 2 24.92 8.56 3.5731 1 -1 1 2 24.93 9.34 3.5711 1 1 1 2 26.29 59.86 3.3904 -2 1 1 2 26.34 3.09 3.3833 2 0 0 2 26.64 69.43 3.3467 -2 -1 1 2 28.71 100.00 3.1089 0 0 2 2 30.51 5.06 2.9300 -2 0 2 2 32.73 51.84 2.7365 0 3 1 2 32.80 45.54 2.7308 -2 2 0 2 32.82 5.95 2.7291 -1 2 2 2 32.99 48.99 2.7152 0 -3 1 2 33.19 32.76 2.6991 2 2 0 2 33.36 5.05 2.6856 -1 -2 2 2 36.13 11.69 2.4859 -2 2 2 2 36.16 6.61 2.4843 2 -1 1 2 36.26 11.76 2.4775 2 1 1 2 36.82 8.46 2.4412 -2 -2 2 2 37.61 5.42 2.3913 1 -3 1 2 37.65 7.35 2.3894 1 3 1 2 38.33 1.15 2.3482 -2 3 1 2 39.08 1.68 2.3050 -2 -3 1 2 39.62 4.02 2.2745 0 4 0 2 42.28 12.93 2.1374 -2 1 3 2 42.66 16.92 2.1196 -2 -1 3 2 43.70 3.48 2.0714 -3 2 2 2 44.44 1.91 2.0386 -3 -2 2 2 44.62 1.11 2.0307 -3 2 0 2 44.75 3.62 2.0252 0 1 3 2 44.95 3.09 2.0165 0 -1 3 2 46.78 2.06 1.9420 2 0 2 2 47.82 1.43 1.9020 -3 -1 3 2 47.92 7.34 1.8984 -2 4 0 2 48.50 9.07 1.8771 2 4 0 2 49.41 1.16 1.8444 0 4 2 2 50.29 7.40 1.8143 -2 4 2 2 50.33 18.17 1.8130 -4 0 2 2 50.93 3.23 1.7928 -4 1 1 2 51.13 15.34 1.7866 2 -2 2 2 51.16 12.62 1.7855 2 2 2 2 51.27 1.40 1.7818 -4 -1 1 2 51.34 8.42 1.7796 -2 -4 2 2 53.29 17.40 1.7191 0 3 3 2 53.82 18.20 1.7033 0 -3 3 2 54.22 9.32 1.6917 4 0 0 2 56.12 12.35 1.6388 -2 5 1 2 57.06 10.40 1.6142 -2 -5 1 2 57.16 1.44 1.6114 -3 4 0 2 57.93 1.85 1.5919 3 4 0 2 58.08 7.11 1.5882 -2 2 4 2 58.67 12.93 1.5735 -4 3 1 2 58.78 5.89 1.5709 -2 -2 4 2 59.46 7.53 1.5545 0 0 4 2 59.59 11.01 1.5514 -4 -3 1 2 61.11 5.50 1.5164 0 6 0 2 61.78 4.55 1.5016 2 1 3 2 61.82 3.07 1.5008 2 -1 3 2 62.30 6.09 1.4904 2 -5 1 2 62.64 5.99 1.4831 2 5 1 2 62.90 2.49 1.4775 2 -4 2 2 62.96 2.52 1.4763 2 4 2 2 63.05 5.63 1.4744 -4 3 3 2 63.50 13.46 1.4650 -4 0 4 2 64.25 5.41 1.4496 -4 -3 3 2 66.17 7.11 1.4122 -2 5 3 2 67.54 5.30 1.3869 -2 -5 3 2 68.59 5.10 1.3683 0 6 2 2 68.80 2.21 1.3646 -2 4 4 2 69.20 4.62 1.3576 0 -6 2 2 70.08 2.31 1.3428 -2 -4 4 2 70.08 5.56 1.3427 4 -3 1 2 70.30 1.19 1.3391 -2 1 5 2 70.62 5.65 1.3338 4 3 1 2 70.67 1.24 1.3330 -2 -1 5 2 73.44 6.02 1.2893 4 0 2 2 80.12 1.52 1.1978 2 2 4 2 80.29 1.63 1.1957 2 -2 4 2 80.33 1.15 1.1952 -6 -1 3 2 80.94 3.41 1.1877 -6 2 2 2 81.39 1.76 1.1823 -6 -1 1 2 81.79 1.94 1.1776 -6 -2 2 2 81.92 2.51 1.1760 -4 3 5 2 82.08 2.43 1.1741 -4 6 2 2 82.56 1.65 1.1685 2 5 3 2 82.74 2.16 1.1664 2 -5 3 2 83.03 1.51 1.1631 2 -7 1 2 83.30 2.27 1.1600 -4 -3 5 2 83.46 1.75 1.1582 2 7 1 2 83.78 3.08 1.1546 0 3 5 2 83.97 2.39 1.1525 -4 -6 2 2 84.50 3.00 1.1466 0 -3 5 2 85.47 2.18 1.1360 -4 6 0 2 86.77 2.35 1.1224 4 6 0 2 86.83 1.89 1.1217 -6 2 4 2 87.86 1.03 1.1111 -6 -2 4 2 89.22 1.38 1.0978 -6 2 0 2 89.74 2.05 1.0928 -2 5 5 2 89.93 2.20 1.0909 0 6 4 2 89.96 1.01 1.0906 2 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.